USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 41:sc= 1.25 USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 SER OG : rot 77:sc= 0.932 USER MOD Single : A 26 THR OG1 : rot 113:sc= 1.23 USER MOD Single : A 27 SER OG : rot -123:sc= 0.487 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 THR OG1 : rot -110:sc= 1.02 USER MOD Single : A 48 MET CE :methyl 163:sc= -0.0736 (180deg=-0.429) USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 1.19 (180deg=0.712) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc=-0.000905 F(o=-0.71,f=-0.0009) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0118 (180deg=-0.208) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 69 TYR OH : rot -11:sc= -0.275 USER MOD Single : A 70 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 72 GLN : amide:sc= -1.58! X(o=-1.6!,f=-1.2) USER MOD Single : A 80 ASN : amide:sc=-0.00168 K(o=-0.0017,f=-1) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-0.306) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 100 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.1!) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= -0.0251 (180deg=-0.143) USER MOD Single : A 106 SER OG : rot 22:sc= 0.895 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 0.176 (180deg=-0.000514) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -37.266 12.048 11.196 1.00 0.00 N ATOM 258 CA GLY A 16 -36.612 13.323 11.417 1.00 0.00 C ATOM 259 C GLY A 16 -36.154 13.989 10.135 1.00 0.00 C ATOM 260 O GLY A 16 -36.301 13.435 9.049 1.00 0.00 O ATOM 0 HA2 GLY A 16 -37.297 13.990 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -35.751 13.174 12.069 1.00 0.00 H new ATOM 264 N GLU A 17 -35.572 15.164 10.270 1.00 0.00 N ATOM 265 CA GLU A 17 -35.110 15.948 9.147 1.00 0.00 C ATOM 266 C GLU A 17 -33.844 15.386 8.558 1.00 0.00 C ATOM 267 O GLU A 17 -33.230 14.485 9.131 1.00 0.00 O ATOM 268 CB GLU A 17 -34.859 17.377 9.564 1.00 0.00 C ATOM 269 CG GLU A 17 -36.116 18.143 9.903 1.00 0.00 C ATOM 270 CD GLU A 17 -37.063 18.214 8.735 1.00 0.00 C ATOM 271 OE1 GLU A 17 -36.793 18.996 7.802 1.00 0.00 O ATOM 272 OE2 GLU A 17 -38.076 17.487 8.735 1.00 0.00 O ATOM 0 H GLU A 17 -35.406 15.605 11.175 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.895 15.913 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -34.197 17.382 10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -34.336 17.894 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -36.615 17.666 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -35.852 19.153 10.218 1.00 0.00 H new ATOM 279 N TRP A 18 -33.478 15.911 7.392 1.00 0.00 N ATOM 280 CA TRP A 18 -32.288 15.506 6.696 1.00 0.00 C ATOM 281 C TRP A 18 -31.077 15.476 7.608 1.00 0.00 C ATOM 282 O TRP A 18 -30.685 16.491 8.193 1.00 0.00 O ATOM 283 CB TRP A 18 -32.027 16.474 5.560 1.00 0.00 C ATOM 284 CG TRP A 18 -32.992 16.341 4.447 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.981 17.206 4.118 1.00 0.00 C ATOM 286 CD2 TRP A 18 -33.069 15.264 3.522 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.675 16.735 3.040 1.00 0.00 N ATOM 288 CE2 TRP A 18 -34.132 15.537 2.650 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.337 14.094 3.351 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.485 14.675 1.610 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.683 13.235 2.329 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.747 13.526 1.466 1.00 0.00 C ATOM 0 H TRP A 18 -34.012 16.634 6.910 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.448 14.496 6.319 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.064 17.493 5.944 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -31.018 16.313 5.179 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.190 18.132 4.633 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.468 17.199 2.597 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.511 13.862 4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.305 14.903 0.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.123 12.322 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.991 12.834 0.673 1.00 0.00 H new ATOM 303 N GLN A 19 -30.508 14.301 7.720 1.00 0.00 N ATOM 304 CA GLN A 19 -29.321 14.069 8.497 1.00 0.00 C ATOM 305 C GLN A 19 -28.184 13.813 7.535 1.00 0.00 C ATOM 306 O GLN A 19 -28.203 12.831 6.786 1.00 0.00 O ATOM 307 CB GLN A 19 -29.542 12.859 9.408 1.00 0.00 C ATOM 308 CG GLN A 19 -30.718 13.041 10.353 1.00 0.00 C ATOM 309 CD GLN A 19 -31.405 11.740 10.714 1.00 0.00 C ATOM 310 OE1 GLN A 19 -30.782 10.684 10.776 1.00 0.00 O ATOM 311 NE2 GLN A 19 -32.703 11.812 10.937 1.00 0.00 N ATOM 0 H GLN A 19 -30.867 13.463 7.263 1.00 0.00 H new ATOM 0 HA GLN A 19 -29.086 14.929 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.708 11.974 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.638 12.678 9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -30.370 13.525 11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -31.444 13.712 9.893 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -33.182 12.710 10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -33.228 10.969 11.171 1.00 0.00 H new ATOM 320 N TRP A 20 -27.214 14.691 7.539 1.00 0.00 N ATOM 321 CA TRP A 20 -26.129 14.618 6.592 1.00 0.00 C ATOM 322 C TRP A 20 -24.843 14.118 7.207 1.00 0.00 C ATOM 323 O TRP A 20 -24.528 14.397 8.366 1.00 0.00 O ATOM 324 CB TRP A 20 -25.910 15.970 5.916 1.00 0.00 C ATOM 325 CG TRP A 20 -26.975 16.310 4.930 1.00 0.00 C ATOM 326 CD1 TRP A 20 -28.016 17.151 5.125 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.104 15.808 3.594 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.794 17.211 3.994 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.254 16.394 3.039 1.00 0.00 C ATOM 330 CE3 TRP A 20 -26.356 14.920 2.813 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -28.680 16.122 1.742 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -26.777 14.651 1.525 1.00 0.00 C ATOM 333 CH2 TRP A 20 -27.930 15.249 1.000 1.00 0.00 C ATOM 0 H TRP A 20 -27.153 15.471 8.193 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.422 13.886 5.840 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.867 16.748 6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.944 15.965 5.411 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -28.208 17.696 6.037 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.638 17.774 3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -25.466 14.454 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.569 16.582 1.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -26.207 13.968 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -28.233 15.017 -0.010 1.00 0.00 H new ATOM 344 N SER A 21 -24.109 13.380 6.409 1.00 0.00 N ATOM 345 CA SER A 21 -22.830 12.834 6.782 1.00 0.00 C ATOM 346 C SER A 21 -21.735 13.791 6.331 1.00 0.00 C ATOM 347 O SER A 21 -22.012 14.785 5.650 1.00 0.00 O ATOM 348 CB SER A 21 -22.635 11.462 6.139 1.00 0.00 C ATOM 349 OG SER A 21 -23.734 10.611 6.416 1.00 0.00 O ATOM 0 H SER A 21 -24.393 13.138 5.460 1.00 0.00 H new ATOM 0 HA SER A 21 -22.784 12.712 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 21 -22.520 11.575 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.716 11.009 6.512 1.00 0.00 H new ATOM 0 HG SER A 21 -24.493 10.862 5.849 1.00 0.00 H new ATOM 355 N VAL A 22 -20.505 13.494 6.677 1.00 0.00 N ATOM 356 CA VAL A 22 -19.422 14.391 6.355 1.00 0.00 C ATOM 357 C VAL A 22 -18.786 13.966 5.041 1.00 0.00 C ATOM 358 O VAL A 22 -18.504 12.789 4.831 1.00 0.00 O ATOM 359 CB VAL A 22 -18.352 14.442 7.481 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.912 15.134 8.715 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.862 13.042 7.837 1.00 0.00 C ATOM 0 H VAL A 22 -20.231 12.648 7.176 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.834 15.396 6.258 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.502 15.015 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.150 15.161 9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -19.206 16.152 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.781 14.585 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.114 13.108 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.702 12.439 8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.419 12.577 6.956 1.00 0.00 H new ATOM 371 N CYS A 23 -18.645 14.925 4.133 1.00 0.00 N ATOM 372 CA CYS A 23 -18.068 14.668 2.818 1.00 0.00 C ATOM 373 C CYS A 23 -16.650 14.136 2.903 1.00 0.00 C ATOM 374 O CYS A 23 -15.693 14.895 3.049 1.00 0.00 O ATOM 375 CB CYS A 23 -18.111 15.922 1.939 1.00 0.00 C ATOM 376 SG CYS A 23 -18.926 15.666 0.320 1.00 0.00 S ATOM 0 H CYS A 23 -18.924 15.894 4.285 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.682 13.894 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -18.634 16.713 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -17.092 16.271 1.771 1.00 0.00 H new ATOM 381 N VAL A 24 -16.531 12.827 2.843 1.00 0.00 N ATOM 382 CA VAL A 24 -15.246 12.180 2.825 1.00 0.00 C ATOM 383 C VAL A 24 -14.929 11.758 1.403 1.00 0.00 C ATOM 384 O VAL A 24 -15.468 10.765 0.913 1.00 0.00 O ATOM 385 CB VAL A 24 -15.211 10.936 3.752 1.00 0.00 C ATOM 386 CG1 VAL A 24 -13.839 10.275 3.723 1.00 0.00 C ATOM 387 CG2 VAL A 24 -15.585 11.316 5.176 1.00 0.00 C ATOM 0 H VAL A 24 -17.324 12.186 2.806 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.503 12.888 3.193 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.944 10.220 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.840 9.406 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.608 9.960 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.085 10.986 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.554 10.429 5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.878 12.056 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -16.591 11.736 5.188 1.00 0.00 H new ATOM 397 N PRO A 25 -14.083 12.529 0.697 1.00 0.00 N ATOM 398 CA PRO A 25 -13.709 12.218 -0.680 1.00 0.00 C ATOM 399 C PRO A 25 -12.786 11.016 -0.736 1.00 0.00 C ATOM 400 O PRO A 25 -12.611 10.421 -1.771 1.00 0.00 O ATOM 401 CB PRO A 25 -12.979 13.483 -1.148 1.00 0.00 C ATOM 402 CG PRO A 25 -12.442 14.094 0.100 1.00 0.00 C ATOM 403 CD PRO A 25 -13.426 13.760 1.189 1.00 0.00 C ATOM 0 HA PRO A 25 -14.567 11.964 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.178 13.242 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.657 14.164 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.454 13.698 0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.335 15.173 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.927 13.594 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.145 14.565 1.341 1.00 0.00 H new ATOM 411 N THR A 26 -12.154 10.749 0.403 1.00 0.00 N ATOM 412 CA THR A 26 -11.246 9.609 0.617 1.00 0.00 C ATOM 413 C THR A 26 -9.796 10.096 0.691 1.00 0.00 C ATOM 414 O THR A 26 -8.971 9.533 1.424 1.00 0.00 O ATOM 415 CB THR A 26 -11.400 8.478 -0.449 1.00 0.00 C ATOM 416 OG1 THR A 26 -12.613 7.749 -0.209 1.00 0.00 O ATOM 417 CG2 THR A 26 -10.212 7.531 -0.420 1.00 0.00 C ATOM 0 H THR A 26 -12.258 11.333 1.233 1.00 0.00 H new ATOM 0 HA THR A 26 -11.529 9.160 1.569 1.00 0.00 H new ATOM 0 HB THR A 26 -11.440 8.940 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.241 7.907 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.347 6.754 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.299 8.087 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.137 7.072 0.566 1.00 0.00 H new ATOM 425 N SER A 27 -9.509 11.164 -0.063 1.00 0.00 N ATOM 426 CA SER A 27 -8.200 11.825 -0.054 1.00 0.00 C ATOM 427 C SER A 27 -7.141 11.033 -0.816 1.00 0.00 C ATOM 428 O SER A 27 -7.465 10.162 -1.633 1.00 0.00 O ATOM 429 CB SER A 27 -7.757 12.114 1.392 1.00 0.00 C ATOM 430 OG SER A 27 -6.687 13.054 1.445 1.00 0.00 O ATOM 0 H SER A 27 -10.181 11.595 -0.698 1.00 0.00 H new ATOM 0 HA SER A 27 -8.308 12.774 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.604 12.497 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.447 11.184 1.869 1.00 0.00 H new ATOM 0 HG SER A 27 -5.927 12.658 1.920 1.00 0.00 H new ATOM 436 N GLY A 28 -5.880 11.354 -0.559 1.00 0.00 N ATOM 437 CA GLY A 28 -4.792 10.757 -1.277 1.00 0.00 C ATOM 438 C GLY A 28 -4.256 11.702 -2.296 1.00 0.00 C ATOM 439 O GLY A 28 -3.428 12.561 -2.001 1.00 0.00 O ATOM 0 H GLY A 28 -5.597 12.031 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.001 10.476 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.129 9.842 -1.763 1.00 0.00 H new ATOM 443 N ASP A 29 -4.763 11.570 -3.468 1.00 0.00 N ATOM 444 CA ASP A 29 -4.425 12.419 -4.583 1.00 0.00 C ATOM 445 C ASP A 29 -5.537 12.281 -5.579 1.00 0.00 C ATOM 446 O ASP A 29 -5.359 11.846 -6.713 1.00 0.00 O ATOM 447 CB ASP A 29 -3.026 12.097 -5.190 1.00 0.00 C ATOM 448 CG ASP A 29 -2.935 10.758 -5.896 1.00 0.00 C ATOM 449 OD1 ASP A 29 -3.155 9.720 -5.248 1.00 0.00 O ATOM 450 OD2 ASP A 29 -2.628 10.744 -7.109 1.00 0.00 O ATOM 0 H ASP A 29 -5.447 10.850 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.333 13.455 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.762 12.884 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.284 12.123 -4.392 1.00 0.00 H new ATOM 455 N CYS A 30 -6.716 12.626 -5.081 1.00 0.00 N ATOM 456 CA CYS A 30 -7.986 12.510 -5.808 1.00 0.00 C ATOM 457 C CYS A 30 -8.524 11.098 -5.696 1.00 0.00 C ATOM 458 O CYS A 30 -8.107 10.192 -6.420 1.00 0.00 O ATOM 459 CB CYS A 30 -7.873 12.945 -7.280 1.00 0.00 C ATOM 460 SG CYS A 30 -7.469 14.706 -7.510 1.00 0.00 S ATOM 0 H CYS A 30 -6.826 13.003 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.690 13.198 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.107 12.342 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.816 12.731 -7.784 1.00 0.00 H new ATOM 465 N GLY A 31 -9.429 10.919 -4.764 1.00 0.00 N ATOM 466 CA GLY A 31 -10.004 9.631 -4.507 1.00 0.00 C ATOM 467 C GLY A 31 -11.499 9.700 -4.537 1.00 0.00 C ATOM 468 O GLY A 31 -12.068 10.779 -4.376 1.00 0.00 O ATOM 0 H GLY A 31 -9.784 11.665 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.654 8.916 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.672 9.267 -3.535 1.00 0.00 H new ATOM 472 N LEU A 32 -12.141 8.584 -4.793 1.00 0.00 N ATOM 473 CA LEU A 32 -13.586 8.549 -4.816 1.00 0.00 C ATOM 474 C LEU A 32 -14.134 8.448 -3.400 1.00 0.00 C ATOM 475 O LEU A 32 -13.706 7.596 -2.616 1.00 0.00 O ATOM 476 CB LEU A 32 -14.087 7.391 -5.687 1.00 0.00 C ATOM 477 CG LEU A 32 -15.606 7.281 -5.857 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.174 8.543 -6.495 1.00 0.00 C ATOM 479 CD2 LEU A 32 -15.956 6.061 -6.691 1.00 0.00 C ATOM 0 H LEU A 32 -11.688 7.691 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.950 9.477 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.638 7.486 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.722 6.457 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.053 7.170 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.254 8.441 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.954 9.402 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.722 8.690 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.038 5.995 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.493 6.148 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.588 5.163 -6.195 1.00 0.00 H new ATOM 491 N GLY A 33 -15.098 9.297 -3.087 1.00 0.00 N ATOM 492 CA GLY A 33 -15.647 9.351 -1.750 1.00 0.00 C ATOM 493 C GLY A 33 -17.141 9.534 -1.790 1.00 0.00 C ATOM 494 O GLY A 33 -17.706 9.768 -2.865 1.00 0.00 O ATOM 0 H GLY A 33 -15.514 9.957 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.403 8.433 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.191 10.173 -1.198 1.00 0.00 H new ATOM 498 N THR A 34 -17.789 9.477 -0.642 1.00 0.00 N ATOM 499 CA THR A 34 -19.252 9.522 -0.614 1.00 0.00 C ATOM 500 C THR A 34 -19.815 10.296 0.581 1.00 0.00 C ATOM 501 O THR A 34 -19.130 10.514 1.582 1.00 0.00 O ATOM 502 CB THR A 34 -19.849 8.093 -0.610 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.089 7.249 0.268 1.00 0.00 O ATOM 504 CG2 THR A 34 -19.864 7.495 -2.013 1.00 0.00 C ATOM 0 H THR A 34 -17.342 9.401 0.272 1.00 0.00 H new ATOM 0 HA THR A 34 -19.544 10.053 -1.520 1.00 0.00 H new ATOM 0 HB THR A 34 -20.878 8.158 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.472 6.347 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.289 6.492 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.469 8.121 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.845 7.444 -2.398 1.00 0.00 H new ATOM 512 N ARG A 35 -21.072 10.716 0.440 1.00 0.00 N ATOM 513 CA ARG A 35 -21.804 11.399 1.487 1.00 0.00 C ATOM 514 C ARG A 35 -23.233 10.842 1.540 1.00 0.00 C ATOM 515 O ARG A 35 -23.859 10.629 0.499 1.00 0.00 O ATOM 516 CB ARG A 35 -21.834 12.914 1.213 1.00 0.00 C ATOM 517 CG ARG A 35 -22.392 13.747 2.362 1.00 0.00 C ATOM 518 CD ARG A 35 -22.322 15.242 2.062 1.00 0.00 C ATOM 519 NE ARG A 35 -23.325 15.673 1.075 1.00 0.00 N ATOM 520 CZ ARG A 35 -23.059 16.432 -0.004 1.00 0.00 C ATOM 521 NH1 ARG A 35 -21.807 16.763 -0.302 1.00 0.00 N ATOM 522 NH2 ARG A 35 -24.050 16.856 -0.782 1.00 0.00 N ATOM 0 H ARG A 35 -21.610 10.586 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.311 11.234 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -20.821 13.252 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.433 13.099 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.427 13.462 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.833 13.532 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.466 15.801 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.326 15.488 1.693 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.290 15.375 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.040 16.441 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.613 17.339 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -25.014 16.606 -0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.846 17.431 -1.599 1.00 0.00 H new ATOM 536 N GLU A 36 -23.736 10.609 2.740 1.00 0.00 N ATOM 537 CA GLU A 36 -25.078 10.055 2.925 1.00 0.00 C ATOM 538 C GLU A 36 -25.991 11.051 3.617 1.00 0.00 C ATOM 539 O GLU A 36 -25.598 11.668 4.616 1.00 0.00 O ATOM 540 CB GLU A 36 -25.040 8.775 3.758 1.00 0.00 C ATOM 541 CG GLU A 36 -24.215 7.651 3.171 1.00 0.00 C ATOM 542 CD GLU A 36 -24.368 6.374 3.965 1.00 0.00 C ATOM 543 OE1 GLU A 36 -23.929 6.335 5.136 1.00 0.00 O ATOM 544 OE2 GLU A 36 -24.945 5.401 3.430 1.00 0.00 O ATOM 0 H GLU A 36 -23.236 10.794 3.610 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.465 9.831 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.648 9.015 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -26.061 8.421 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -24.519 7.477 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -23.165 7.943 3.149 1.00 0.00 H new ATOM 551 N GLY A 37 -27.186 11.238 3.084 1.00 0.00 N ATOM 552 CA GLY A 37 -28.154 12.103 3.718 1.00 0.00 C ATOM 553 C GLY A 37 -29.503 11.413 3.774 1.00 0.00 C ATOM 554 O GLY A 37 -29.985 10.912 2.751 1.00 0.00 O ATOM 0 H GLY A 37 -27.504 10.803 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.823 12.357 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.237 13.038 3.164 1.00 0.00 H new ATOM 558 N THR A 38 -30.114 11.359 4.946 1.00 0.00 N ATOM 559 CA THR A 38 -31.380 10.656 5.101 1.00 0.00 C ATOM 560 C THR A 38 -32.397 11.532 5.832 1.00 0.00 C ATOM 561 O THR A 38 -32.027 12.321 6.695 1.00 0.00 O ATOM 562 CB THR A 38 -31.190 9.329 5.890 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.730 9.610 7.222 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.172 8.428 5.204 1.00 0.00 C ATOM 0 H THR A 38 -29.758 11.790 5.799 1.00 0.00 H new ATOM 0 HA THR A 38 -31.750 10.426 4.102 1.00 0.00 H new ATOM 0 HB THR A 38 -32.154 8.821 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.615 8.769 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.058 7.507 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 38 -30.517 8.190 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.212 8.941 5.147 1.00 0.00 H new ATOM 572 N ARG A 39 -33.667 11.389 5.488 1.00 0.00 N ATOM 573 CA ARG A 39 -34.739 12.148 6.110 1.00 0.00 C ATOM 574 C ARG A 39 -35.969 11.269 6.233 1.00 0.00 C ATOM 575 O ARG A 39 -36.134 10.317 5.476 1.00 0.00 O ATOM 576 CB ARG A 39 -35.101 13.361 5.253 1.00 0.00 C ATOM 577 CG ARG A 39 -36.132 14.287 5.883 1.00 0.00 C ATOM 578 CD ARG A 39 -37.053 14.896 4.838 1.00 0.00 C ATOM 579 NE ARG A 39 -37.841 13.866 4.146 1.00 0.00 N ATOM 580 CZ ARG A 39 -39.172 13.727 4.246 1.00 0.00 C ATOM 581 NH1 ARG A 39 -39.878 14.521 5.042 1.00 0.00 N ATOM 582 NH2 ARG A 39 -39.790 12.770 3.570 1.00 0.00 N ATOM 0 H ARG A 39 -33.984 10.741 4.767 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.403 12.482 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.194 13.931 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -35.481 13.012 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -36.724 13.731 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -35.623 15.082 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -37.725 15.609 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -36.462 15.452 4.111 1.00 0.00 H new ATOM 0 HE ARG A 39 -37.340 13.210 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -39.409 15.246 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -40.889 14.406 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -39.254 12.139 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -40.802 12.664 3.646 1.00 0.00 H new ATOM 596 N THR A 40 -36.825 11.581 7.165 1.00 0.00 N ATOM 597 CA THR A 40 -38.052 10.861 7.330 1.00 0.00 C ATOM 598 C THR A 40 -39.132 11.783 7.880 1.00 0.00 C ATOM 599 O THR A 40 -38.855 12.661 8.684 1.00 0.00 O ATOM 600 CB THR A 40 -37.857 9.670 8.285 1.00 0.00 C ATOM 601 OG1 THR A 40 -36.812 9.970 9.217 1.00 0.00 O ATOM 602 CG2 THR A 40 -37.511 8.403 7.522 1.00 0.00 C ATOM 0 H THR A 40 -36.690 12.342 7.831 1.00 0.00 H new ATOM 0 HA THR A 40 -38.361 10.485 6.355 1.00 0.00 H new ATOM 0 HB THR A 40 -38.793 9.502 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 40 -37.105 10.687 9.818 1.00 0.00 H new ATOM 0 HG21 THR A 40 -37.379 7.580 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 40 -38.318 8.164 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.587 8.555 6.964 1.00 0.00 H new ATOM 610 N GLY A 41 -40.350 11.585 7.439 1.00 0.00 N ATOM 611 CA GLY A 41 -41.442 12.371 7.959 1.00 0.00 C ATOM 612 C GLY A 41 -41.980 11.748 9.212 1.00 0.00 C ATOM 613 O GLY A 41 -41.408 10.776 9.706 1.00 0.00 O ATOM 0 H GLY A 41 -40.608 10.897 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.102 13.386 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -42.233 12.446 7.213 1.00 0.00 H new ATOM 617 N ALA A 42 -43.069 12.281 9.733 1.00 0.00 N ATOM 618 CA ALA A 42 -43.694 11.719 10.923 1.00 0.00 C ATOM 619 C ALA A 42 -44.105 10.273 10.663 1.00 0.00 C ATOM 620 O ALA A 42 -44.116 9.443 11.562 1.00 0.00 O ATOM 621 CB ALA A 42 -44.899 12.554 11.335 1.00 0.00 C ATOM 0 H ALA A 42 -43.541 13.102 9.354 1.00 0.00 H new ATOM 0 HA ALA A 42 -42.973 11.735 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -45.355 12.121 12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -44.579 13.573 11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -45.627 12.566 10.524 1.00 0.00 H new ATOM 627 N GLU A 43 -44.439 9.993 9.415 1.00 0.00 N ATOM 628 CA GLU A 43 -44.814 8.649 9.002 1.00 0.00 C ATOM 629 C GLU A 43 -43.604 7.835 8.563 1.00 0.00 C ATOM 630 O GLU A 43 -43.768 6.715 8.095 1.00 0.00 O ATOM 631 CB GLU A 43 -45.793 8.703 7.839 1.00 0.00 C ATOM 632 CG GLU A 43 -47.049 9.489 8.106 1.00 0.00 C ATOM 633 CD GLU A 43 -47.911 9.590 6.875 1.00 0.00 C ATOM 634 OE1 GLU A 43 -48.770 8.710 6.672 1.00 0.00 O ATOM 635 OE2 GLU A 43 -47.721 10.541 6.088 1.00 0.00 O ATOM 0 H GLU A 43 -44.458 10.683 8.664 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.274 8.171 9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -45.287 9.136 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -46.070 7.684 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -47.613 9.013 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -46.787 10.489 8.451 1.00 0.00 H new ATOM 642 N CYS A 44 -42.394 8.381 8.731 1.00 0.00 N ATOM 643 CA CYS A 44 -41.169 7.730 8.259 1.00 0.00 C ATOM 644 C CYS A 44 -41.293 7.213 6.813 1.00 0.00 C ATOM 645 O CYS A 44 -41.512 6.030 6.570 1.00 0.00 O ATOM 646 CB CYS A 44 -40.689 6.643 9.235 1.00 0.00 C ATOM 647 SG CYS A 44 -39.682 7.291 10.639 1.00 0.00 S ATOM 0 H CYS A 44 -42.238 9.277 9.193 1.00 0.00 H new ATOM 0 HA CYS A 44 -40.395 8.497 8.236 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -41.557 6.119 9.635 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -40.099 5.910 8.685 1.00 0.00 H new ATOM 0 HG CYS A 44 -39.325 6.306 11.408 1.00 0.00 H new ATOM 652 N LYS A 45 -41.145 8.141 5.868 1.00 0.00 N ATOM 653 CA LYS A 45 -41.279 7.857 4.433 1.00 0.00 C ATOM 654 C LYS A 45 -39.969 7.281 3.862 1.00 0.00 C ATOM 655 O LYS A 45 -39.865 7.005 2.670 1.00 0.00 O ATOM 656 CB LYS A 45 -41.641 9.161 3.707 1.00 0.00 C ATOM 657 CG LYS A 45 -42.316 8.981 2.359 1.00 0.00 C ATOM 658 CD LYS A 45 -43.710 8.390 2.510 1.00 0.00 C ATOM 659 CE LYS A 45 -44.448 8.365 1.182 1.00 0.00 C ATOM 660 NZ LYS A 45 -45.830 7.840 1.324 1.00 0.00 N ATOM 0 H LYS A 45 -40.928 9.116 6.074 1.00 0.00 H new ATOM 0 HA LYS A 45 -42.063 7.114 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -42.298 9.746 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -40.731 9.745 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -42.380 9.943 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -41.709 8.329 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -43.637 7.377 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -44.279 8.975 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -44.484 9.373 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -43.897 7.748 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -46.298 7.840 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -45.796 6.869 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -46.365 8.443 1.981 1.00 0.00 H new ATOM 674 N GLN A 46 -38.995 7.090 4.750 1.00 0.00 N ATOM 675 CA GLN A 46 -37.665 6.570 4.398 1.00 0.00 C ATOM 676 C GLN A 46 -37.066 7.302 3.202 1.00 0.00 C ATOM 677 O GLN A 46 -36.706 6.690 2.197 1.00 0.00 O ATOM 678 CB GLN A 46 -37.721 5.064 4.124 1.00 0.00 C ATOM 679 CG GLN A 46 -38.138 4.234 5.328 1.00 0.00 C ATOM 680 CD GLN A 46 -38.109 2.747 5.041 1.00 0.00 C ATOM 681 OE1 GLN A 46 -38.323 2.313 3.907 1.00 0.00 O ATOM 682 NE2 GLN A 46 -37.856 1.956 6.062 1.00 0.00 N ATOM 0 H GLN A 46 -39.103 7.292 5.744 1.00 0.00 H new ATOM 0 HA GLN A 46 -37.016 6.747 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -38.419 4.879 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -36.740 4.729 3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -37.474 4.453 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -39.143 4.523 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -37.684 2.354 6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -37.832 0.945 5.930 1.00 0.00 H new ATOM 691 N THR A 47 -36.959 8.604 3.316 1.00 0.00 N ATOM 692 CA THR A 47 -36.414 9.409 2.252 1.00 0.00 C ATOM 693 C THR A 47 -34.907 9.537 2.418 1.00 0.00 C ATOM 694 O THR A 47 -34.426 10.291 3.246 1.00 0.00 O ATOM 695 CB THR A 47 -37.041 10.796 2.254 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.446 10.684 2.526 1.00 0.00 O ATOM 697 CG2 THR A 47 -36.850 11.470 0.913 1.00 0.00 C ATOM 0 H THR A 47 -37.245 9.131 4.141 1.00 0.00 H new ATOM 0 HA THR A 47 -36.638 8.921 1.304 1.00 0.00 H new ATOM 0 HB THR A 47 -36.555 11.396 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 47 -38.954 10.903 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 47 -37.305 12.460 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 47 -35.785 11.565 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 47 -37.322 10.871 0.134 1.00 0.00 H new ATOM 705 N MET A 48 -34.182 8.799 1.641 1.00 0.00 N ATOM 706 CA MET A 48 -32.735 8.784 1.754 1.00 0.00 C ATOM 707 C MET A 48 -32.065 8.826 0.404 1.00 0.00 C ATOM 708 O MET A 48 -32.574 8.285 -0.573 1.00 0.00 O ATOM 709 CB MET A 48 -32.256 7.565 2.552 1.00 0.00 C ATOM 710 CG MET A 48 -32.774 6.234 2.041 1.00 0.00 C ATOM 711 SD MET A 48 -32.112 4.828 2.964 1.00 0.00 S ATOM 712 CE MET A 48 -32.823 5.115 4.585 1.00 0.00 C ATOM 0 H MET A 48 -34.558 8.191 0.913 1.00 0.00 H new ATOM 0 HA MET A 48 -32.449 9.686 2.294 1.00 0.00 H new ATOM 0 HB2 MET A 48 -31.166 7.545 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 48 -32.562 7.684 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 48 -33.862 6.224 2.103 1.00 0.00 H new ATOM 0 HG3 MET A 48 -32.514 6.127 0.988 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.765 4.200 5.175 1.00 0.00 H new ATOM 0 HE2 MET A 48 -32.271 5.908 5.089 1.00 0.00 H new ATOM 0 HE3 MET A 48 -33.866 5.411 4.477 1.00 0.00 H new ATOM 722 N LYS A 49 -30.923 9.478 0.356 1.00 0.00 N ATOM 723 CA LYS A 49 -30.152 9.601 -0.862 1.00 0.00 C ATOM 724 C LYS A 49 -28.674 9.532 -0.561 1.00 0.00 C ATOM 725 O LYS A 49 -28.209 10.022 0.471 1.00 0.00 O ATOM 726 CB LYS A 49 -30.469 10.913 -1.591 1.00 0.00 C ATOM 727 CG LYS A 49 -31.835 10.954 -2.273 1.00 0.00 C ATOM 728 CD LYS A 49 -31.787 10.449 -3.723 1.00 0.00 C ATOM 729 CE LYS A 49 -31.784 8.925 -3.822 1.00 0.00 C ATOM 730 NZ LYS A 49 -33.012 8.324 -3.238 1.00 0.00 N ATOM 0 H LYS A 49 -30.502 9.939 1.163 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.427 8.770 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -30.411 11.733 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -29.699 11.090 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -32.539 10.347 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -32.213 11.976 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -32.646 10.842 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -30.894 10.841 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -31.699 8.630 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.908 8.530 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -33.320 7.523 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -32.810 7.989 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -33.766 9.039 -3.204 1.00 0.00 H new ATOM 744 N THR A 50 -27.947 8.911 -1.444 1.00 0.00 N ATOM 745 CA THR A 50 -26.517 8.800 -1.318 1.00 0.00 C ATOM 746 C THR A 50 -25.856 9.543 -2.468 1.00 0.00 C ATOM 747 O THR A 50 -26.315 9.470 -3.614 1.00 0.00 O ATOM 748 CB THR A 50 -26.064 7.332 -1.317 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.859 6.586 -0.378 1.00 0.00 O ATOM 750 CG2 THR A 50 -24.595 7.227 -0.926 1.00 0.00 C ATOM 0 H THR A 50 -28.329 8.464 -2.278 1.00 0.00 H new ATOM 0 HA THR A 50 -26.220 9.240 -0.366 1.00 0.00 H new ATOM 0 HB THR A 50 -26.193 6.926 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.572 5.649 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 50 -24.291 6.180 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 50 -23.988 7.784 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.454 7.642 0.072 1.00 0.00 H new ATOM 758 N GLN A 51 -24.804 10.261 -2.168 1.00 0.00 N ATOM 759 CA GLN A 51 -24.151 11.087 -3.153 1.00 0.00 C ATOM 760 C GLN A 51 -22.639 10.904 -3.122 1.00 0.00 C ATOM 761 O GLN A 51 -22.049 10.660 -2.072 1.00 0.00 O ATOM 762 CB GLN A 51 -24.532 12.564 -2.905 1.00 0.00 C ATOM 763 CG GLN A 51 -23.868 13.581 -3.835 1.00 0.00 C ATOM 764 CD GLN A 51 -24.170 13.356 -5.311 1.00 0.00 C ATOM 765 OE1 GLN A 51 -25.328 12.793 -5.611 1.00 0.00 O flip ATOM 766 NE2 GLN A 51 -23.360 13.691 -6.172 1.00 0.00 N flip ATOM 0 H GLN A 51 -24.378 10.290 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.488 10.785 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -25.613 12.663 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -24.278 12.819 -1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -24.196 14.582 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.789 13.545 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.477 14.123 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.571 13.537 -7.158 1.00 0.00 H new ATOM 775 N ARG A 52 -22.039 11.008 -4.285 1.00 0.00 N ATOM 776 CA ARG A 52 -20.594 10.941 -4.411 1.00 0.00 C ATOM 777 C ARG A 52 -20.033 12.331 -4.158 1.00 0.00 C ATOM 778 O ARG A 52 -20.601 13.320 -4.624 1.00 0.00 O ATOM 779 CB ARG A 52 -20.202 10.469 -5.818 1.00 0.00 C ATOM 780 CG ARG A 52 -20.754 11.355 -6.925 1.00 0.00 C ATOM 781 CD ARG A 52 -20.231 10.959 -8.287 1.00 0.00 C ATOM 782 NE ARG A 52 -20.745 11.848 -9.332 1.00 0.00 N ATOM 783 CZ ARG A 52 -20.411 11.781 -10.619 1.00 0.00 C ATOM 784 NH1 ARG A 52 -19.568 10.848 -11.040 1.00 0.00 N ATOM 785 NH2 ARG A 52 -20.925 12.652 -11.489 1.00 0.00 N ATOM 0 H ARG A 52 -22.532 11.141 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.191 10.231 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.115 10.439 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -20.560 9.450 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -21.843 11.298 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.489 12.393 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.141 10.989 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.521 9.931 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 52 -21.408 12.572 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.174 10.180 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.313 10.798 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.575 13.370 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.668 12.600 -12.475 1.00 0.00 H new ATOM 799 N CYS A 53 -18.957 12.432 -3.414 1.00 0.00 N ATOM 800 CA CYS A 53 -18.413 13.734 -3.092 1.00 0.00 C ATOM 801 C CYS A 53 -17.387 14.085 -4.166 1.00 0.00 C ATOM 802 O CYS A 53 -16.816 13.188 -4.790 1.00 0.00 O ATOM 803 CB CYS A 53 -17.759 13.701 -1.696 1.00 0.00 C ATOM 804 SG CYS A 53 -17.390 15.342 -0.977 1.00 0.00 S ATOM 0 H CYS A 53 -18.445 11.641 -3.024 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.200 14.488 -3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -18.418 13.162 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -16.832 13.132 -1.759 1.00 0.00 H new ATOM 809 N LYS A 54 -17.147 15.360 -4.387 1.00 0.00 N ATOM 810 CA LYS A 54 -16.240 15.765 -5.433 1.00 0.00 C ATOM 811 C LYS A 54 -14.988 16.407 -4.857 1.00 0.00 C ATOM 812 O LYS A 54 -15.050 17.185 -3.901 1.00 0.00 O ATOM 813 CB LYS A 54 -16.938 16.724 -6.401 1.00 0.00 C ATOM 814 CG LYS A 54 -16.114 17.058 -7.627 1.00 0.00 C ATOM 815 CD LYS A 54 -16.881 17.949 -8.591 1.00 0.00 C ATOM 816 CE LYS A 54 -16.058 18.270 -9.833 1.00 0.00 C ATOM 817 NZ LYS A 54 -15.692 17.050 -10.595 1.00 0.00 N ATOM 0 H LYS A 54 -17.565 16.127 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.937 14.873 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.883 16.282 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.179 17.647 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.194 17.557 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.825 16.137 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.807 17.455 -8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.159 18.875 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.624 18.943 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.151 18.798 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.331 17.321 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.957 16.526 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.532 16.447 -10.709 1.00 0.00 H new ATOM 831 N ILE A 55 -13.859 16.064 -5.447 1.00 0.00 N ATOM 832 CA ILE A 55 -12.569 16.557 -5.018 1.00 0.00 C ATOM 833 C ILE A 55 -11.912 17.360 -6.153 1.00 0.00 C ATOM 834 O ILE A 55 -11.602 16.811 -7.207 1.00 0.00 O ATOM 835 CB ILE A 55 -11.641 15.375 -4.566 1.00 0.00 C ATOM 836 CG1 ILE A 55 -10.223 15.863 -4.234 1.00 0.00 C ATOM 837 CG2 ILE A 55 -11.600 14.265 -5.615 1.00 0.00 C ATOM 838 CD1 ILE A 55 -10.150 16.743 -3.003 1.00 0.00 C ATOM 0 H ILE A 55 -13.814 15.430 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.714 17.214 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.072 14.961 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.576 14.998 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.830 16.415 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.948 13.462 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.606 13.874 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.217 14.665 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.117 17.047 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.769 17.628 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.511 16.188 -2.137 1.00 0.00 H new ATOM 850 N PRO A 56 -11.753 18.685 -5.972 1.00 0.00 N ATOM 851 CA PRO A 56 -11.125 19.555 -6.980 1.00 0.00 C ATOM 852 C PRO A 56 -9.683 19.139 -7.281 1.00 0.00 C ATOM 853 O PRO A 56 -8.779 19.342 -6.463 1.00 0.00 O ATOM 854 CB PRO A 56 -11.160 20.948 -6.332 1.00 0.00 C ATOM 855 CG PRO A 56 -12.231 20.858 -5.301 1.00 0.00 C ATOM 856 CD PRO A 56 -12.188 19.448 -4.790 1.00 0.00 C ATOM 0 HA PRO A 56 -11.644 19.509 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.199 21.201 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.382 21.721 -7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.059 21.572 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.206 21.089 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.490 19.340 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.163 19.118 -4.432 1.00 0.00 H new ATOM 864 N CYS A 57 -9.484 18.547 -8.441 1.00 0.00 N ATOM 865 CA CYS A 57 -8.173 18.084 -8.854 1.00 0.00 C ATOM 866 C CYS A 57 -7.476 19.118 -9.735 1.00 0.00 C ATOM 867 O CYS A 57 -8.043 20.176 -10.042 1.00 0.00 O ATOM 868 CB CYS A 57 -8.296 16.752 -9.598 1.00 0.00 C ATOM 869 SG CYS A 57 -9.026 15.409 -8.606 1.00 0.00 S ATOM 0 H CYS A 57 -10.223 18.373 -9.122 1.00 0.00 H new ATOM 0 HA CYS A 57 -7.567 17.939 -7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.904 16.902 -10.490 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.306 16.444 -9.935 1.00 0.00 H new ATOM 993 N GLY A 64 -12.279 17.627 -20.465 1.00 0.00 N ATOM 994 CA GLY A 64 -13.428 16.777 -20.659 1.00 0.00 C ATOM 995 C GLY A 64 -13.140 15.646 -21.616 1.00 0.00 C ATOM 996 O GLY A 64 -12.025 15.531 -22.133 1.00 0.00 O ATOM 0 HA2 GLY A 64 -13.743 16.368 -19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.258 17.371 -21.040 1.00 0.00 H new ATOM 1000 N ALA A 65 -14.128 14.803 -21.847 1.00 0.00 N ATOM 1001 CA ALA A 65 -13.980 13.695 -22.768 1.00 0.00 C ATOM 1002 C ALA A 65 -14.860 13.899 -23.988 1.00 0.00 C ATOM 1003 O ALA A 65 -14.368 14.034 -25.107 1.00 0.00 O ATOM 1004 CB ALA A 65 -14.318 12.382 -22.080 1.00 0.00 C ATOM 0 H ALA A 65 -15.046 14.866 -21.407 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.941 13.654 -23.095 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.201 11.560 -22.787 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.647 12.231 -21.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.348 12.412 -21.725 1.00 0.00 H new ATOM 1010 N GLU A 66 -16.159 13.936 -23.765 1.00 0.00 N ATOM 1011 CA GLU A 66 -17.117 14.118 -24.843 1.00 0.00 C ATOM 1012 C GLU A 66 -17.604 15.553 -24.885 1.00 0.00 C ATOM 1013 O GLU A 66 -18.354 15.940 -25.776 1.00 0.00 O ATOM 1014 CB GLU A 66 -18.280 13.163 -24.672 1.00 0.00 C ATOM 1015 CG GLU A 66 -17.848 11.714 -24.603 1.00 0.00 C ATOM 1016 CD GLU A 66 -18.994 10.783 -24.352 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -19.296 10.518 -23.167 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -19.592 10.300 -25.331 1.00 0.00 O ATOM 0 H GLU A 66 -16.580 13.842 -22.841 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.624 13.899 -25.790 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.823 13.419 -23.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.974 13.291 -25.503 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.360 11.439 -25.538 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.109 11.596 -23.811 1.00 0.00 H new ATOM 1025 N CYS A 67 -17.183 16.328 -23.906 1.00 0.00 N ATOM 1026 CA CYS A 67 -17.505 17.738 -23.861 1.00 0.00 C ATOM 1027 C CYS A 67 -16.607 18.467 -24.867 1.00 0.00 C ATOM 1028 O CYS A 67 -15.630 17.883 -25.358 1.00 0.00 O ATOM 1029 CB CYS A 67 -17.295 18.279 -22.437 1.00 0.00 C ATOM 1030 SG CYS A 67 -18.051 19.907 -22.118 1.00 0.00 S ATOM 0 H CYS A 67 -16.613 16.001 -23.126 1.00 0.00 H new ATOM 0 HA CYS A 67 -18.550 17.901 -24.125 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -17.702 17.560 -21.727 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.224 18.347 -22.244 1.00 0.00 H new ATOM 1035 N LYS A 68 -16.900 19.718 -25.165 1.00 0.00 N ATOM 1036 CA LYS A 68 -16.122 20.447 -26.157 1.00 0.00 C ATOM 1037 C LYS A 68 -15.581 21.742 -25.580 1.00 0.00 C ATOM 1038 O LYS A 68 -16.338 22.578 -25.084 1.00 0.00 O ATOM 1039 CB LYS A 68 -16.960 20.733 -27.407 1.00 0.00 C ATOM 1040 CG LYS A 68 -17.170 19.524 -28.308 1.00 0.00 C ATOM 1041 CD LYS A 68 -17.959 19.894 -29.556 1.00 0.00 C ATOM 1042 CE LYS A 68 -17.914 18.784 -30.602 1.00 0.00 C ATOM 1043 NZ LYS A 68 -18.482 17.513 -30.098 1.00 0.00 N ATOM 0 H LYS A 68 -17.661 20.249 -24.742 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.278 19.819 -26.443 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.933 21.116 -27.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.475 21.521 -27.983 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.204 19.110 -28.596 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.699 18.746 -27.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.995 20.097 -29.285 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.556 20.812 -29.982 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.466 19.100 -31.488 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.882 18.621 -30.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.507 16.815 -30.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.891 17.152 -29.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.448 17.679 -29.749 1.00 0.00 H new ATOM 1057 N TYR A 69 -14.280 21.919 -25.677 1.00 0.00 N ATOM 1058 CA TYR A 69 -13.637 23.094 -25.137 1.00 0.00 C ATOM 1059 C TYR A 69 -12.838 23.807 -26.204 1.00 0.00 C ATOM 1060 O TYR A 69 -12.402 23.195 -27.176 1.00 0.00 O ATOM 1061 CB TYR A 69 -12.736 22.726 -23.960 1.00 0.00 C ATOM 1062 CG TYR A 69 -12.949 23.624 -22.775 1.00 0.00 C ATOM 1063 CD1 TYR A 69 -14.184 23.687 -22.174 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -11.926 24.407 -22.259 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -14.414 24.494 -21.103 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -12.144 25.228 -21.174 1.00 0.00 C ATOM 1067 CZ TYR A 69 -13.393 25.270 -20.598 1.00 0.00 C ATOM 1068 OH TYR A 69 -13.627 26.091 -19.522 1.00 0.00 O ATOM 0 H TYR A 69 -13.646 21.259 -26.128 1.00 0.00 H new ATOM 0 HA TYR A 69 -14.415 23.768 -24.780 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -12.927 21.693 -23.669 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.693 22.782 -24.272 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.990 23.082 -22.561 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.947 24.372 -22.713 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.394 24.526 -20.650 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.341 25.833 -20.779 1.00 0.00 H new ATOM 0 HH TYR A 69 -14.591 26.140 -19.352 1.00 0.00 H new ATOM 1078 N GLN A 70 -12.663 25.095 -26.031 1.00 0.00 N ATOM 1079 CA GLN A 70 -11.927 25.898 -26.982 1.00 0.00 C ATOM 1080 C GLN A 70 -10.519 26.151 -26.476 1.00 0.00 C ATOM 1081 O GLN A 70 -10.311 26.389 -25.282 1.00 0.00 O ATOM 1082 CB GLN A 70 -12.648 27.222 -27.214 1.00 0.00 C ATOM 1083 CG GLN A 70 -14.084 27.052 -27.680 1.00 0.00 C ATOM 1084 CD GLN A 70 -14.823 28.365 -27.785 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -14.821 29.009 -28.828 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -15.465 28.766 -26.705 1.00 0.00 N ATOM 0 H GLN A 70 -13.024 25.616 -25.232 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.866 25.358 -27.927 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.640 27.799 -26.289 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.099 27.801 -27.956 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.090 26.558 -28.652 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.612 26.398 -26.986 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.441 28.199 -25.857 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.986 29.643 -26.717 1.00 0.00 H new ATOM 1095 N PHE A 71 -9.559 26.101 -27.378 1.00 0.00 N ATOM 1096 CA PHE A 71 -8.159 26.325 -27.077 1.00 0.00 C ATOM 1097 C PHE A 71 -7.813 27.771 -27.382 1.00 0.00 C ATOM 1098 O PHE A 71 -8.304 28.332 -28.364 1.00 0.00 O ATOM 1099 CB PHE A 71 -7.270 25.376 -27.905 1.00 0.00 C ATOM 1100 CG PHE A 71 -7.314 25.635 -29.393 1.00 0.00 C ATOM 1101 CD1 PHE A 71 -6.292 26.333 -30.018 1.00 0.00 C ATOM 1102 CD2 PHE A 71 -8.382 25.190 -30.158 1.00 0.00 C ATOM 1103 CE1 PHE A 71 -6.333 26.581 -31.373 1.00 0.00 C ATOM 1104 CE2 PHE A 71 -8.427 25.436 -31.515 1.00 0.00 C ATOM 1105 CZ PHE A 71 -7.402 26.133 -32.123 1.00 0.00 C ATOM 0 H PHE A 71 -9.734 25.899 -28.362 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.979 26.121 -26.021 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.240 25.467 -27.561 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.579 24.348 -27.716 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.454 26.687 -29.436 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.187 24.645 -29.687 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.530 27.125 -31.848 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.263 25.084 -32.101 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.436 26.328 -33.185 1.00 0.00 H new ATOM 1115 N GLN A 72 -7.018 28.391 -26.540 1.00 0.00 N ATOM 1116 CA GLN A 72 -6.632 29.759 -26.763 1.00 0.00 C ATOM 1117 C GLN A 72 -5.539 29.821 -27.829 1.00 0.00 C ATOM 1118 O GLN A 72 -4.910 28.809 -28.147 1.00 0.00 O ATOM 1119 CB GLN A 72 -6.152 30.411 -25.490 1.00 0.00 C ATOM 1120 CG GLN A 72 -4.730 30.099 -25.159 1.00 0.00 C ATOM 1121 CD GLN A 72 -4.522 28.723 -24.533 1.00 0.00 C ATOM 1122 OE1 GLN A 72 -3.478 28.104 -24.717 1.00 0.00 O ATOM 1123 NE2 GLN A 72 -5.502 28.244 -23.783 1.00 0.00 N ATOM 0 H GLN A 72 -6.629 27.968 -25.697 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.509 30.307 -27.108 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.267 31.491 -25.579 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.788 30.090 -24.665 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.134 30.166 -26.069 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.353 30.858 -24.474 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.356 28.786 -23.652 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.403 27.333 -23.336 1.00 0.00 H new ATOM 1132 N ALA A 73 -5.310 30.999 -28.354 1.00 0.00 N ATOM 1133 CA ALA A 73 -4.353 31.204 -29.431 1.00 0.00 C ATOM 1134 C ALA A 73 -3.690 32.552 -29.227 1.00 0.00 C ATOM 1135 O ALA A 73 -3.227 33.201 -30.170 1.00 0.00 O ATOM 1136 CB ALA A 73 -5.066 31.157 -30.778 1.00 0.00 C ATOM 0 H ALA A 73 -5.781 31.851 -28.050 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.599 30.417 -29.421 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.342 31.311 -31.578 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.544 30.185 -30.903 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.822 31.941 -30.817 1.00 0.00 H new ATOM 1142 N TRP A 74 -3.614 32.934 -27.969 1.00 0.00 N ATOM 1143 CA TRP A 74 -3.113 34.231 -27.557 1.00 0.00 C ATOM 1144 C TRP A 74 -1.596 34.222 -27.377 1.00 0.00 C ATOM 1145 O TRP A 74 -0.964 35.279 -27.330 1.00 0.00 O ATOM 1146 CB TRP A 74 -3.821 34.641 -26.246 1.00 0.00 C ATOM 1147 CG TRP A 74 -3.195 35.795 -25.510 1.00 0.00 C ATOM 1148 CD1 TRP A 74 -2.494 35.728 -24.341 1.00 0.00 C ATOM 1149 CD2 TRP A 74 -3.207 37.179 -25.888 1.00 0.00 C ATOM 1150 NE1 TRP A 74 -2.073 36.979 -23.970 1.00 0.00 N ATOM 1151 CE2 TRP A 74 -2.495 37.885 -24.901 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -3.748 37.886 -26.963 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 -2.311 39.264 -24.956 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -3.564 39.254 -27.017 1.00 0.00 C ATOM 1155 CH2 TRP A 74 -2.850 39.929 -26.019 1.00 0.00 C ATOM 0 H TRP A 74 -3.903 32.343 -27.190 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.330 34.959 -28.339 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.855 34.896 -26.476 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.846 33.778 -25.581 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.299 34.821 -23.788 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.532 37.198 -23.134 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.300 37.374 -27.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -1.763 39.788 -24.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.978 39.813 -27.843 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.723 40.999 -26.092 1.00 0.00 H new ATOM 1166 N GLY A 75 -1.002 33.047 -27.328 1.00 0.00 N ATOM 1167 CA GLY A 75 0.412 32.968 -27.064 1.00 0.00 C ATOM 1168 C GLY A 75 0.676 32.431 -25.680 1.00 0.00 C ATOM 1169 O GLY A 75 0.137 32.947 -24.696 1.00 0.00 O ATOM 0 H GLY A 75 -1.470 32.151 -27.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.888 32.325 -27.804 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.860 33.956 -27.166 1.00 0.00 H new ATOM 1173 N GLU A 76 1.490 31.405 -25.589 1.00 0.00 N ATOM 1174 CA GLU A 76 1.785 30.793 -24.326 1.00 0.00 C ATOM 1175 C GLU A 76 3.173 31.156 -23.843 1.00 0.00 C ATOM 1176 O GLU A 76 4.138 31.105 -24.605 1.00 0.00 O ATOM 1177 CB GLU A 76 1.649 29.293 -24.424 1.00 0.00 C ATOM 1178 CG GLU A 76 0.221 28.813 -24.550 1.00 0.00 C ATOM 1179 CD GLU A 76 0.124 27.319 -24.472 1.00 0.00 C ATOM 1180 OE1 GLU A 76 0.316 26.772 -23.365 1.00 0.00 O ATOM 1181 OE2 GLU A 76 -0.140 26.674 -25.505 1.00 0.00 O ATOM 0 H GLU A 76 1.961 30.977 -26.386 1.00 0.00 H new ATOM 0 HA GLU A 76 1.066 31.172 -23.600 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.217 28.942 -25.286 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.098 28.839 -23.540 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.383 29.258 -23.759 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.194 29.155 -25.498 1.00 0.00 H new ATOM 1188 N CYS A 77 3.250 31.517 -22.566 1.00 0.00 N ATOM 1189 CA CYS A 77 4.499 31.883 -21.906 1.00 0.00 C ATOM 1190 C CYS A 77 5.057 33.188 -22.440 1.00 0.00 C ATOM 1191 O CYS A 77 5.617 33.251 -23.539 1.00 0.00 O ATOM 1192 CB CYS A 77 5.551 30.762 -21.992 1.00 0.00 C ATOM 1193 SG CYS A 77 7.130 31.147 -21.149 1.00 0.00 S ATOM 0 H CYS A 77 2.437 31.564 -21.952 1.00 0.00 H new ATOM 0 HA CYS A 77 4.260 32.028 -20.852 1.00 0.00 H new ATOM 0 HB2 CYS A 77 5.133 29.853 -21.559 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.755 30.550 -23.042 1.00 0.00 H new ATOM 1198 N ASP A 78 4.898 34.222 -21.657 1.00 0.00 N ATOM 1199 CA ASP A 78 5.423 35.525 -21.993 1.00 0.00 C ATOM 1200 C ASP A 78 6.837 35.593 -21.481 1.00 0.00 C ATOM 1201 O ASP A 78 7.072 35.582 -20.274 1.00 0.00 O ATOM 1202 CB ASP A 78 4.604 36.641 -21.356 1.00 0.00 C ATOM 1203 CG ASP A 78 3.136 36.581 -21.703 1.00 0.00 C ATOM 1204 OD1 ASP A 78 2.767 36.977 -22.831 1.00 0.00 O ATOM 1205 OD2 ASP A 78 2.335 36.158 -20.840 1.00 0.00 O ATOM 0 H ASP A 78 4.401 34.188 -20.767 1.00 0.00 H new ATOM 0 HA ASP A 78 5.381 35.661 -23.074 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.716 36.591 -20.273 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.006 37.603 -21.674 1.00 0.00 H new ATOM 1210 N LEU A 79 7.769 35.639 -22.385 1.00 0.00 N ATOM 1211 CA LEU A 79 9.178 35.614 -22.026 1.00 0.00 C ATOM 1212 C LEU A 79 9.604 36.889 -21.338 1.00 0.00 C ATOM 1213 O LEU A 79 10.490 36.875 -20.487 1.00 0.00 O ATOM 1214 CB LEU A 79 10.012 35.387 -23.265 1.00 0.00 C ATOM 1215 CG LEU A 79 9.574 34.200 -24.103 1.00 0.00 C ATOM 1216 CD1 LEU A 79 10.305 34.177 -25.435 1.00 0.00 C ATOM 1217 CD2 LEU A 79 9.796 32.895 -23.351 1.00 0.00 C ATOM 0 H LEU A 79 7.589 35.695 -23.388 1.00 0.00 H new ATOM 0 HA LEU A 79 9.333 34.796 -21.323 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.977 36.285 -23.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.051 35.244 -22.968 1.00 0.00 H new ATOM 0 HG LEU A 79 8.507 34.305 -24.301 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.974 33.317 -26.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.088 35.093 -25.985 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.378 34.105 -25.260 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.475 32.058 -23.971 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.855 32.786 -23.115 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.218 32.905 -22.427 1.00 0.00 H new ATOM 1229 N ASN A 80 8.959 37.982 -21.683 1.00 0.00 N ATOM 1230 CA ASN A 80 9.266 39.258 -21.081 1.00 0.00 C ATOM 1231 C ASN A 80 8.874 39.284 -19.625 1.00 0.00 C ATOM 1232 O ASN A 80 9.495 39.975 -18.819 1.00 0.00 O ATOM 1233 CB ASN A 80 8.563 40.390 -21.829 1.00 0.00 C ATOM 1234 CG ASN A 80 9.135 40.635 -23.211 1.00 0.00 C ATOM 1235 OD1 ASN A 80 10.310 40.387 -23.465 1.00 0.00 O ATOM 1236 ND2 ASN A 80 8.313 41.139 -24.109 1.00 0.00 N ATOM 0 H ASN A 80 8.216 38.011 -22.381 1.00 0.00 H new ATOM 0 HA ASN A 80 10.344 39.403 -21.149 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.502 40.155 -21.918 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.639 41.306 -21.243 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.647 41.336 -25.052 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.343 41.332 -23.861 1.00 0.00 H new ATOM 1243 N THR A 81 7.850 38.530 -19.276 1.00 0.00 N ATOM 1244 CA THR A 81 7.367 38.527 -17.903 1.00 0.00 C ATOM 1245 C THR A 81 7.794 37.264 -17.174 1.00 0.00 C ATOM 1246 O THR A 81 7.646 37.156 -15.953 1.00 0.00 O ATOM 1247 CB THR A 81 5.834 38.657 -17.862 1.00 0.00 C ATOM 1248 OG1 THR A 81 5.236 37.516 -18.480 1.00 0.00 O ATOM 1249 CG2 THR A 81 5.394 39.907 -18.604 1.00 0.00 C ATOM 0 H THR A 81 7.340 37.918 -19.913 1.00 0.00 H new ATOM 0 HA THR A 81 7.809 39.386 -17.399 1.00 0.00 H new ATOM 0 HB THR A 81 5.518 38.723 -16.821 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.260 37.602 -18.451 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.308 39.988 -18.568 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.839 40.784 -18.135 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.719 39.847 -19.643 1.00 0.00 H new ATOM 1257 N ALA A 82 8.363 36.331 -17.935 1.00 0.00 N ATOM 1258 CA ALA A 82 8.776 35.022 -17.437 1.00 0.00 C ATOM 1259 C ALA A 82 7.581 34.265 -16.870 1.00 0.00 C ATOM 1260 O ALA A 82 7.718 33.431 -15.981 1.00 0.00 O ATOM 1261 CB ALA A 82 9.877 35.167 -16.392 1.00 0.00 C ATOM 0 H ALA A 82 8.552 36.466 -18.928 1.00 0.00 H new ATOM 0 HA ALA A 82 9.178 34.446 -18.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.171 34.180 -16.034 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.739 35.662 -16.838 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.509 35.762 -15.556 1.00 0.00 H new ATOM 1267 N LEU A 83 6.421 34.533 -17.429 1.00 0.00 N ATOM 1268 CA LEU A 83 5.180 33.953 -16.929 1.00 0.00 C ATOM 1269 C LEU A 83 4.376 33.311 -18.018 1.00 0.00 C ATOM 1270 O LEU A 83 4.576 33.578 -19.184 1.00 0.00 O ATOM 1271 CB LEU A 83 4.365 34.989 -16.173 1.00 0.00 C ATOM 1272 CG LEU A 83 5.107 35.679 -15.027 1.00 0.00 C ATOM 1273 CD1 LEU A 83 4.206 36.662 -14.336 1.00 0.00 C ATOM 1274 CD2 LEU A 83 5.625 34.663 -14.020 1.00 0.00 C ATOM 0 H LEU A 83 6.305 35.150 -18.233 1.00 0.00 H new ATOM 0 HA LEU A 83 5.450 33.160 -16.232 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.027 35.749 -16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.474 34.507 -15.772 1.00 0.00 H new ATOM 0 HG LEU A 83 5.958 36.210 -15.453 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.749 37.144 -13.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.876 37.417 -15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.339 36.139 -13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.148 35.181 -13.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.787 34.102 -13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.311 33.976 -14.516 1.00 0.00 H new ATOM 1286 N LYS A 84 3.484 32.445 -17.626 1.00 0.00 N ATOM 1287 CA LYS A 84 2.661 31.737 -18.559 1.00 0.00 C ATOM 1288 C LYS A 84 1.199 31.856 -18.165 1.00 0.00 C ATOM 1289 O LYS A 84 0.862 31.799 -16.982 1.00 0.00 O ATOM 1290 CB LYS A 84 3.066 30.271 -18.588 1.00 0.00 C ATOM 1291 CG LYS A 84 2.384 29.480 -19.659 1.00 0.00 C ATOM 1292 CD LYS A 84 2.399 27.990 -19.331 1.00 0.00 C ATOM 1293 CE LYS A 84 1.635 27.168 -20.360 1.00 0.00 C ATOM 1294 NZ LYS A 84 2.384 27.011 -21.631 1.00 0.00 N ATOM 0 H LYS A 84 3.309 32.212 -16.649 1.00 0.00 H new ATOM 0 HA LYS A 84 2.796 32.171 -19.550 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.145 30.204 -18.730 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.844 29.822 -17.620 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.355 29.822 -19.769 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.880 29.651 -20.614 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.430 27.641 -19.282 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.962 27.832 -18.345 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.418 26.183 -19.946 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.677 27.646 -20.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.719 27.027 -22.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.064 27.791 -21.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.895 26.105 -21.623 1.00 0.00 H new ATOM 1308 N THR A 85 0.349 32.019 -19.146 1.00 0.00 N ATOM 1309 CA THR A 85 -1.071 32.107 -18.906 1.00 0.00 C ATOM 1310 C THR A 85 -1.832 31.312 -19.937 1.00 0.00 C ATOM 1311 O THR A 85 -1.404 31.190 -21.090 1.00 0.00 O ATOM 1312 CB THR A 85 -1.595 33.557 -18.869 1.00 0.00 C ATOM 1313 OG1 THR A 85 -2.990 33.562 -18.529 1.00 0.00 O ATOM 1314 CG2 THR A 85 -1.400 34.245 -20.208 1.00 0.00 C ATOM 0 H THR A 85 0.617 32.094 -20.127 1.00 0.00 H new ATOM 0 HA THR A 85 -1.239 31.685 -17.915 1.00 0.00 H new ATOM 0 HB THR A 85 -1.028 34.102 -18.115 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.318 34.485 -18.505 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.779 35.265 -20.151 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.339 34.265 -20.456 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.942 33.699 -20.980 1.00 0.00 H new ATOM 1322 N ARG A 86 -2.915 30.729 -19.512 1.00 0.00 N ATOM 1323 CA ARG A 86 -3.767 29.943 -20.371 1.00 0.00 C ATOM 1324 C ARG A 86 -5.221 30.202 -20.041 1.00 0.00 C ATOM 1325 O ARG A 86 -5.626 30.139 -18.878 1.00 0.00 O ATOM 1326 CB ARG A 86 -3.470 28.443 -20.241 1.00 0.00 C ATOM 1327 CG ARG A 86 -2.643 27.879 -21.379 1.00 0.00 C ATOM 1328 CD ARG A 86 -2.632 26.354 -21.361 1.00 0.00 C ATOM 1329 NE ARG A 86 -2.010 25.814 -22.567 1.00 0.00 N ATOM 1330 CZ ARG A 86 -2.348 24.664 -23.160 1.00 0.00 C ATOM 1331 NH1 ARG A 86 -3.241 23.852 -22.603 1.00 0.00 N ATOM 1332 NH2 ARG A 86 -1.775 24.321 -24.310 1.00 0.00 N ATOM 0 H ARG A 86 -3.240 30.784 -18.547 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.565 30.242 -21.399 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.946 28.267 -19.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.413 27.899 -20.186 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.044 28.230 -22.330 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.621 28.252 -21.307 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.092 26.002 -20.482 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.653 25.982 -21.278 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.258 26.357 -22.991 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.675 24.104 -21.715 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.492 22.977 -23.064 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.080 24.934 -24.737 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.030 23.445 -24.765 1.00 0.00 H new ATOM 1346 N THR A 87 -5.992 30.506 -21.049 1.00 0.00 N ATOM 1347 CA THR A 87 -7.400 30.730 -20.853 1.00 0.00 C ATOM 1348 C THR A 87 -8.205 29.796 -21.751 1.00 0.00 C ATOM 1349 O THR A 87 -7.764 29.445 -22.852 1.00 0.00 O ATOM 1350 CB THR A 87 -7.799 32.213 -21.103 1.00 0.00 C ATOM 1351 OG1 THR A 87 -9.165 32.427 -20.719 1.00 0.00 O ATOM 1352 CG2 THR A 87 -7.611 32.600 -22.566 1.00 0.00 C ATOM 0 H THR A 87 -5.671 30.604 -22.012 1.00 0.00 H new ATOM 0 HA THR A 87 -7.629 30.512 -19.810 1.00 0.00 H new ATOM 0 HB THR A 87 -7.146 32.841 -20.497 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.407 33.363 -20.878 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.899 33.642 -22.707 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.565 32.472 -22.845 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.235 31.964 -23.194 1.00 0.00 H new ATOM 1360 N GLY A 88 -9.352 29.379 -21.272 1.00 0.00 N ATOM 1361 CA GLY A 88 -10.182 28.484 -22.030 1.00 0.00 C ATOM 1362 C GLY A 88 -11.642 28.674 -21.730 1.00 0.00 C ATOM 1363 O GLY A 88 -12.007 29.119 -20.644 1.00 0.00 O ATOM 0 H GLY A 88 -9.729 29.646 -20.362 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.008 28.643 -23.094 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.899 27.455 -21.811 1.00 0.00 H new ATOM 1367 N SER A 89 -12.470 28.362 -22.695 1.00 0.00 N ATOM 1368 CA SER A 89 -13.905 28.490 -22.521 1.00 0.00 C ATOM 1369 C SER A 89 -14.652 27.327 -23.122 1.00 0.00 C ATOM 1370 O SER A 89 -14.214 26.729 -24.115 1.00 0.00 O ATOM 1371 CB SER A 89 -14.406 29.804 -23.120 1.00 0.00 C ATOM 1372 OG SER A 89 -13.780 30.920 -22.509 1.00 0.00 O ATOM 0 H SER A 89 -12.181 28.017 -23.610 1.00 0.00 H new ATOM 0 HA SER A 89 -14.100 28.490 -21.449 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.209 29.816 -24.192 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.486 29.876 -22.993 1.00 0.00 H new ATOM 0 HG SER A 89 -14.118 31.746 -22.913 1.00 0.00 H new ATOM 1378 N LEU A 90 -15.777 27.001 -22.514 1.00 0.00 N ATOM 1379 CA LEU A 90 -16.640 25.956 -22.947 1.00 0.00 C ATOM 1380 C LEU A 90 -17.487 26.458 -24.113 1.00 0.00 C ATOM 1381 O LEU A 90 -18.128 27.506 -24.006 1.00 0.00 O ATOM 1382 CB LEU A 90 -17.503 25.605 -21.731 1.00 0.00 C ATOM 1383 CG LEU A 90 -18.408 24.394 -21.797 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -19.663 24.721 -22.519 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -17.706 23.221 -22.440 1.00 0.00 C ATOM 0 H LEU A 90 -16.112 27.482 -21.679 1.00 0.00 H new ATOM 0 HA LEU A 90 -16.101 25.077 -23.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -16.834 25.470 -20.881 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.128 26.471 -21.510 1.00 0.00 H new ATOM 0 HG LEU A 90 -18.663 24.107 -20.777 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.302 23.838 -22.557 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -20.184 25.524 -21.998 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -19.426 25.041 -23.534 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -18.382 22.366 -22.473 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -17.407 23.487 -23.454 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -16.822 22.962 -21.857 1.00 0.00 H new ATOM 1397 N LYS A 91 -17.468 25.737 -25.230 1.00 0.00 N ATOM 1398 CA LYS A 91 -18.222 26.170 -26.397 1.00 0.00 C ATOM 1399 C LYS A 91 -19.662 25.661 -26.379 1.00 0.00 C ATOM 1400 O LYS A 91 -20.563 26.349 -26.850 1.00 0.00 O ATOM 1401 CB LYS A 91 -17.517 25.794 -27.709 1.00 0.00 C ATOM 1402 CG LYS A 91 -17.306 24.303 -27.929 1.00 0.00 C ATOM 1403 CD LYS A 91 -16.606 24.031 -29.260 1.00 0.00 C ATOM 1404 CE LYS A 91 -17.415 24.556 -30.440 1.00 0.00 C ATOM 1405 NZ LYS A 91 -16.747 24.297 -31.737 1.00 0.00 N ATOM 0 H LYS A 91 -16.949 24.867 -25.350 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.265 27.258 -26.347 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.100 26.189 -28.541 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.547 26.290 -27.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.711 23.894 -27.113 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.268 23.791 -27.910 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.622 24.500 -29.256 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.448 22.959 -29.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.399 24.088 -30.440 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.572 25.628 -30.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.333 24.671 -32.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.818 24.765 -31.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.620 23.273 -31.864 1.00 0.00 H new ATOM 1419 N ARG A 92 -19.888 24.467 -25.839 1.00 0.00 N ATOM 1420 CA ARG A 92 -21.232 23.915 -25.746 1.00 0.00 C ATOM 1421 C ARG A 92 -21.270 22.812 -24.699 1.00 0.00 C ATOM 1422 O ARG A 92 -20.324 22.028 -24.584 1.00 0.00 O ATOM 1423 CB ARG A 92 -21.704 23.368 -27.094 1.00 0.00 C ATOM 1424 CG ARG A 92 -23.106 22.781 -27.045 1.00 0.00 C ATOM 1425 CD ARG A 92 -23.553 22.305 -28.404 1.00 0.00 C ATOM 1426 NE ARG A 92 -24.902 21.736 -28.369 1.00 0.00 N ATOM 1427 CZ ARG A 92 -25.741 21.733 -29.406 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -25.370 22.258 -30.568 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -26.950 21.198 -29.281 1.00 0.00 N ATOM 0 H ARG A 92 -19.157 23.865 -25.460 1.00 0.00 H new ATOM 0 HA ARG A 92 -21.906 24.720 -25.452 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -21.678 24.169 -27.833 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -21.007 22.600 -27.431 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -23.129 21.949 -26.341 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -23.803 23.532 -26.674 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.529 23.138 -29.106 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.853 21.556 -28.774 1.00 0.00 H new ATOM 0 HE ARG A 92 -25.220 21.315 -27.496 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.441 22.665 -30.670 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -26.015 22.254 -31.359 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -27.237 20.789 -28.392 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -27.591 21.196 -30.074 1.00 0.00 H new ATOM 1443 N ALA A 93 -22.349 22.762 -23.943 1.00 0.00 N ATOM 1444 CA ALA A 93 -22.514 21.766 -22.902 1.00 0.00 C ATOM 1445 C ALA A 93 -23.502 20.708 -23.351 1.00 0.00 C ATOM 1446 O ALA A 93 -24.380 20.982 -24.176 1.00 0.00 O ATOM 1447 CB ALA A 93 -22.980 22.418 -21.610 1.00 0.00 C ATOM 0 H ALA A 93 -23.133 23.408 -24.032 1.00 0.00 H new ATOM 0 HA ALA A 93 -21.551 21.290 -22.715 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -23.099 21.656 -20.840 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -22.241 23.150 -21.285 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -23.935 22.916 -21.778 1.00 0.00 H new ATOM 1453 N LEU A 94 -23.361 19.502 -22.829 1.00 0.00 N ATOM 1454 CA LEU A 94 -24.248 18.412 -23.201 1.00 0.00 C ATOM 1455 C LEU A 94 -25.438 18.348 -22.270 1.00 0.00 C ATOM 1456 O LEU A 94 -25.519 19.098 -21.292 1.00 0.00 O ATOM 1457 CB LEU A 94 -23.530 17.061 -23.220 1.00 0.00 C ATOM 1458 CG LEU A 94 -22.546 16.822 -24.369 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -23.163 17.202 -25.707 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -21.231 17.554 -24.140 1.00 0.00 C ATOM 0 H LEU A 94 -22.643 19.253 -22.148 1.00 0.00 H new ATOM 0 HA LEU A 94 -24.593 18.619 -24.214 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -22.989 16.950 -22.280 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -24.285 16.275 -23.249 1.00 0.00 H new ATOM 0 HG LEU A 94 -22.324 15.755 -24.395 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -22.442 17.022 -26.504 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -24.054 16.599 -25.881 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -23.435 18.257 -25.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -20.557 17.362 -24.975 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -21.419 18.625 -24.065 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -20.774 17.200 -23.216 1.00 0.00 H new ATOM 1472 N HIS A 95 -26.349 17.441 -22.565 1.00 0.00 N ATOM 1473 CA HIS A 95 -27.567 17.294 -21.771 1.00 0.00 C ATOM 1474 C HIS A 95 -27.265 16.628 -20.427 1.00 0.00 C ATOM 1475 O HIS A 95 -27.967 16.851 -19.442 1.00 0.00 O ATOM 1476 CB HIS A 95 -28.606 16.470 -22.541 1.00 0.00 C ATOM 1477 CG HIS A 95 -29.984 16.515 -21.945 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -30.997 17.277 -22.470 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -30.515 15.883 -20.870 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -32.087 17.118 -21.750 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -31.822 16.276 -20.775 1.00 0.00 N ATOM 0 H HIS A 95 -26.274 16.792 -23.348 1.00 0.00 H new ATOM 0 HA HIS A 95 -27.970 18.289 -21.580 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -28.653 16.832 -23.568 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -28.273 15.433 -22.584 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -30.002 15.197 -20.212 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -33.038 17.598 -21.929 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -32.484 15.966 -20.063 1.00 0.00 H new ATOM 1490 N ASN A 96 -26.227 15.815 -20.391 1.00 0.00 N ATOM 1491 CA ASN A 96 -25.845 15.133 -19.163 1.00 0.00 C ATOM 1492 C ASN A 96 -24.357 15.320 -18.906 1.00 0.00 C ATOM 1493 O ASN A 96 -23.639 14.384 -18.537 1.00 0.00 O ATOM 1494 CB ASN A 96 -26.197 13.646 -19.242 1.00 0.00 C ATOM 1495 CG ASN A 96 -26.378 13.012 -17.869 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -25.765 13.430 -16.882 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -27.230 12.013 -17.795 1.00 0.00 N ATOM 0 H ASN A 96 -25.633 15.609 -21.194 1.00 0.00 H new ATOM 0 HA ASN A 96 -26.400 15.568 -18.332 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -27.114 13.524 -19.818 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -25.410 13.118 -19.781 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -27.403 11.556 -16.900 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -27.718 11.696 -18.633 1.00 0.00 H new ATOM 1504 N ALA A 97 -23.908 16.535 -19.102 1.00 0.00 N ATOM 1505 CA ALA A 97 -22.521 16.880 -18.887 1.00 0.00 C ATOM 1506 C ALA A 97 -22.374 18.330 -18.515 1.00 0.00 C ATOM 1507 O ALA A 97 -22.386 19.213 -19.379 1.00 0.00 O ATOM 1508 CB ALA A 97 -21.670 16.554 -20.099 1.00 0.00 C ATOM 0 H ALA A 97 -24.490 17.312 -19.414 1.00 0.00 H new ATOM 0 HA ALA A 97 -22.164 16.274 -18.055 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.634 16.827 -19.900 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -21.730 15.486 -20.309 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -22.034 17.114 -20.960 1.00 0.00 H new ATOM 1514 N GLU A 98 -22.263 18.577 -17.234 1.00 0.00 N ATOM 1515 CA GLU A 98 -22.071 19.917 -16.738 1.00 0.00 C ATOM 1516 C GLU A 98 -20.610 20.277 -16.889 1.00 0.00 C ATOM 1517 O GLU A 98 -19.751 19.720 -16.200 1.00 0.00 O ATOM 1518 CB GLU A 98 -22.473 20.020 -15.257 1.00 0.00 C ATOM 1519 CG GLU A 98 -23.723 19.237 -14.868 1.00 0.00 C ATOM 1520 CD GLU A 98 -23.424 17.786 -14.522 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -23.159 17.499 -13.335 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -23.450 16.930 -15.432 1.00 0.00 O ATOM 0 H GLU A 98 -22.303 17.860 -16.509 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.698 20.602 -17.308 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -21.640 19.671 -14.646 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -22.631 21.070 -15.012 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -24.197 19.719 -14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -24.438 19.270 -15.690 1.00 0.00 H new ATOM 1529 N CYS A 99 -20.319 21.188 -17.787 1.00 0.00 N ATOM 1530 CA CYS A 99 -18.952 21.562 -18.051 1.00 0.00 C ATOM 1531 C CYS A 99 -18.655 22.975 -17.571 1.00 0.00 C ATOM 1532 O CYS A 99 -19.549 23.823 -17.491 1.00 0.00 O ATOM 1533 CB CYS A 99 -18.643 21.440 -19.548 1.00 0.00 C ATOM 1534 SG CYS A 99 -18.791 19.749 -20.226 1.00 0.00 S ATOM 0 H CYS A 99 -21.012 21.684 -18.347 1.00 0.00 H new ATOM 0 HA CYS A 99 -18.311 20.877 -17.496 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -19.316 22.097 -20.098 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -17.630 21.800 -19.726 1.00 0.00 H new ATOM 1539 N GLN A 100 -17.399 23.202 -17.250 1.00 0.00 N ATOM 1540 CA GLN A 100 -16.920 24.507 -16.824 1.00 0.00 C ATOM 1541 C GLN A 100 -16.970 25.482 -17.999 1.00 0.00 C ATOM 1542 O GLN A 100 -16.508 25.171 -19.080 1.00 0.00 O ATOM 1543 CB GLN A 100 -15.479 24.403 -16.289 1.00 0.00 C ATOM 1544 CG GLN A 100 -14.469 23.849 -17.299 1.00 0.00 C ATOM 1545 CD GLN A 100 -14.621 22.356 -17.547 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -15.035 21.608 -16.668 1.00 0.00 O ATOM 1547 NE2 GLN A 100 -14.303 21.923 -18.749 1.00 0.00 N ATOM 0 H GLN A 100 -16.675 22.484 -17.276 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.562 24.873 -16.023 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.150 25.392 -15.970 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.477 23.766 -15.405 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.582 24.380 -18.244 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.460 24.049 -16.940 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.962 22.577 -19.453 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.398 20.933 -18.976 1.00 0.00 H new ATOM 1556 N LYS A 101 -17.510 26.666 -17.759 1.00 0.00 N ATOM 1557 CA LYS A 101 -17.708 27.661 -18.795 1.00 0.00 C ATOM 1558 C LYS A 101 -16.399 28.311 -19.192 1.00 0.00 C ATOM 1559 O LYS A 101 -16.145 28.523 -20.370 1.00 0.00 O ATOM 1560 CB LYS A 101 -18.732 28.711 -18.345 1.00 0.00 C ATOM 1561 CG LYS A 101 -18.505 29.229 -16.936 1.00 0.00 C ATOM 1562 CD LYS A 101 -19.541 30.259 -16.538 1.00 0.00 C ATOM 1563 CE LYS A 101 -19.403 30.638 -15.073 1.00 0.00 C ATOM 1564 NZ LYS A 101 -18.055 31.174 -14.754 1.00 0.00 N ATOM 0 H LYS A 101 -17.824 26.963 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 101 -18.102 27.156 -19.677 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -18.705 29.551 -19.039 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -19.731 28.279 -18.406 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -18.534 28.396 -16.234 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -17.510 29.670 -16.867 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -19.431 31.148 -17.159 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.540 29.864 -16.722 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -20.157 31.383 -14.820 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -19.600 29.763 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.054 31.559 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.352 30.410 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.813 31.929 -15.427 1.00 0.00 H new ATOM 1578 N THR A 102 -15.580 28.643 -18.218 1.00 0.00 N ATOM 1579 CA THR A 102 -14.280 29.171 -18.542 1.00 0.00 C ATOM 1580 C THR A 102 -13.282 28.949 -17.428 1.00 0.00 C ATOM 1581 O THR A 102 -13.623 28.948 -16.239 1.00 0.00 O ATOM 1582 CB THR A 102 -14.346 30.682 -18.900 1.00 0.00 C ATOM 1583 OG1 THR A 102 -13.038 31.187 -19.210 1.00 0.00 O ATOM 1584 CG2 THR A 102 -14.949 31.493 -17.761 1.00 0.00 C ATOM 0 H THR A 102 -15.786 28.559 -17.222 1.00 0.00 H new ATOM 0 HA THR A 102 -13.938 28.621 -19.419 1.00 0.00 H new ATOM 0 HB THR A 102 -14.986 30.783 -19.776 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.553 30.529 -19.750 1.00 0.00 H new ATOM 0 HG21 THR A 102 -14.982 32.546 -18.042 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.960 31.140 -17.558 1.00 0.00 H new ATOM 0 HG23 THR A 102 -14.337 31.375 -16.867 1.00 0.00 H new ATOM 1592 N VAL A 103 -12.052 28.742 -17.834 1.00 0.00 N ATOM 1593 CA VAL A 103 -10.946 28.594 -16.914 1.00 0.00 C ATOM 1594 C VAL A 103 -9.763 29.431 -17.331 1.00 0.00 C ATOM 1595 O VAL A 103 -9.445 29.557 -18.513 1.00 0.00 O ATOM 1596 CB VAL A 103 -10.505 27.108 -16.772 1.00 0.00 C ATOM 1597 CG1 VAL A 103 -11.639 26.259 -16.213 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -10.036 26.550 -18.111 1.00 0.00 C ATOM 0 H VAL A 103 -11.787 28.671 -18.816 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.303 28.944 -15.946 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.669 27.072 -16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.308 25.224 -16.122 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -11.926 26.636 -15.231 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.496 26.308 -16.885 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.733 25.510 -17.986 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.850 26.606 -18.834 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.189 27.134 -18.472 1.00 0.00 H new ATOM 1608 N THR A 104 -9.158 30.036 -16.359 1.00 0.00 N ATOM 1609 CA THR A 104 -7.988 30.825 -16.565 1.00 0.00 C ATOM 1610 C THR A 104 -6.919 30.394 -15.572 1.00 0.00 C ATOM 1611 O THR A 104 -7.175 30.326 -14.367 1.00 0.00 O ATOM 1612 CB THR A 104 -8.317 32.308 -16.393 1.00 0.00 C ATOM 1613 OG1 THR A 104 -9.391 32.661 -17.289 1.00 0.00 O ATOM 1614 CG2 THR A 104 -7.105 33.182 -16.680 1.00 0.00 C ATOM 0 H THR A 104 -9.467 29.995 -15.388 1.00 0.00 H new ATOM 0 HA THR A 104 -7.617 30.676 -17.579 1.00 0.00 H new ATOM 0 HB THR A 104 -8.617 32.477 -15.359 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.607 33.611 -17.182 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.373 34.230 -16.549 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.300 32.924 -15.992 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.773 33.018 -17.705 1.00 0.00 H new ATOM 1622 N ILE A 105 -5.739 30.094 -16.069 1.00 0.00 N ATOM 1623 CA ILE A 105 -4.654 29.613 -15.231 1.00 0.00 C ATOM 1624 C ILE A 105 -3.339 30.282 -15.598 1.00 0.00 C ATOM 1625 O ILE A 105 -3.023 30.450 -16.772 1.00 0.00 O ATOM 1626 CB ILE A 105 -4.486 28.072 -15.349 1.00 0.00 C ATOM 1627 CG1 ILE A 105 -4.391 27.657 -16.825 1.00 0.00 C ATOM 1628 CG2 ILE A 105 -5.634 27.346 -14.651 1.00 0.00 C ATOM 1629 CD1 ILE A 105 -4.177 26.176 -17.041 1.00 0.00 C ATOM 0 H ILE A 105 -5.502 30.175 -17.058 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.914 29.866 -14.203 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.559 27.787 -14.852 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.306 27.958 -17.335 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.571 28.203 -17.292 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.495 26.269 -14.747 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.648 27.618 -13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.579 27.632 -15.112 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.121 25.968 -18.110 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.247 25.869 -16.563 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.008 25.621 -16.606 1.00 0.00 H new ATOM 1641 N SER A 106 -2.592 30.675 -14.594 1.00 0.00 N ATOM 1642 CA SER A 106 -1.308 31.286 -14.824 1.00 0.00 C ATOM 1643 C SER A 106 -0.234 30.555 -14.024 1.00 0.00 C ATOM 1644 O SER A 106 -0.435 30.225 -12.850 1.00 0.00 O ATOM 1645 CB SER A 106 -1.340 32.771 -14.453 1.00 0.00 C ATOM 1646 OG SER A 106 -0.159 33.433 -14.883 1.00 0.00 O ATOM 0 H SER A 106 -2.852 30.582 -13.612 1.00 0.00 H new ATOM 0 HA SER A 106 -1.069 31.210 -15.885 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.211 33.243 -14.907 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.447 32.877 -13.373 1.00 0.00 H new ATOM 0 HG SER A 106 0.255 32.924 -15.611 1.00 0.00 H new ATOM 1652 N LYS A 107 0.888 30.290 -14.665 1.00 0.00 N ATOM 1653 CA LYS A 107 1.995 29.596 -14.039 1.00 0.00 C ATOM 1654 C LYS A 107 3.313 30.285 -14.375 1.00 0.00 C ATOM 1655 O LYS A 107 3.561 30.604 -15.534 1.00 0.00 O ATOM 1656 CB LYS A 107 2.044 28.136 -14.506 1.00 0.00 C ATOM 1657 CG LYS A 107 3.271 27.386 -14.014 1.00 0.00 C ATOM 1658 CD LYS A 107 3.380 26.006 -14.636 1.00 0.00 C ATOM 1659 CE LYS A 107 4.702 25.347 -14.269 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.866 26.126 -14.773 1.00 0.00 N ATOM 0 H LYS A 107 1.057 30.551 -15.636 1.00 0.00 H new ATOM 0 HA LYS A 107 1.846 29.620 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.149 27.621 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.024 28.110 -15.596 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.166 27.962 -14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.228 27.292 -12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.552 25.383 -14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.297 26.084 -15.720 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.771 25.250 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.733 24.339 -14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.730 25.554 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.713 26.372 -15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.969 26.997 -14.214 1.00 0.00 H new ATOM 1674 N PRO A 108 4.152 30.557 -13.364 1.00 0.00 N ATOM 1675 CA PRO A 108 5.482 31.116 -13.610 1.00 0.00 C ATOM 1676 C PRO A 108 6.232 30.253 -14.642 1.00 0.00 C ATOM 1677 O PRO A 108 6.335 29.026 -14.491 1.00 0.00 O ATOM 1678 CB PRO A 108 6.159 31.067 -12.240 1.00 0.00 C ATOM 1679 CG PRO A 108 5.036 31.039 -11.253 1.00 0.00 C ATOM 1680 CD PRO A 108 3.886 30.342 -11.932 1.00 0.00 C ATOM 0 HA PRO A 108 5.460 32.126 -14.019 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.791 30.184 -12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.799 31.936 -12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.330 30.510 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.756 32.050 -10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.857 29.281 -11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.927 30.766 -11.634 1.00 0.00 H new ATOM 1688 N CYS A 109 6.722 30.889 -15.697 1.00 0.00 N ATOM 1689 CA CYS A 109 7.306 30.160 -16.826 1.00 0.00 C ATOM 1690 C CYS A 109 8.833 30.153 -16.810 1.00 0.00 C ATOM 1691 O CYS A 109 9.455 29.103 -17.011 1.00 0.00 O ATOM 1692 CB CYS A 109 6.808 30.763 -18.144 1.00 0.00 C ATOM 1693 SG CYS A 109 7.231 29.796 -19.633 1.00 0.00 S ATOM 0 H CYS A 109 6.729 31.904 -15.799 1.00 0.00 H new ATOM 0 HA CYS A 109 6.983 29.123 -16.734 1.00 0.00 H new ATOM 0 HB2 CYS A 109 5.724 30.870 -18.092 1.00 0.00 H new ATOM 0 HB3 CYS A 109 7.223 31.766 -18.249 1.00 0.00 H new ATOM 1698 N GLY A 110 9.428 31.315 -16.573 1.00 0.00 N ATOM 1699 CA GLY A 110 10.877 31.441 -16.622 1.00 0.00 C ATOM 1700 C GLY A 110 11.580 30.592 -15.592 1.00 0.00 C ATOM 1701 O GLY A 110 12.595 29.953 -15.887 1.00 0.00 O ATOM 0 H GLY A 110 8.933 32.178 -16.347 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.227 31.160 -17.615 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.150 32.485 -16.471 1.00 0.00 H new